3-Nitropyridine 1-oxide

Base Information

• Chemical Name: 3-Nitropyridine 1-oxide
• CAS No.: 2403-01-2
• Molecular Formula: C5H4 N2 O3
• Molecular Weight: 140.098
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60178774
• Nikkaji Number: J409.358E
• Wikidata: Q83049251
• Mol file: 2403-01-2.mol

Synonyms:3-Nitropyridine 1-oxide;Pyridine, 3-nitro-, 1-oxide;2403-01-2;3-Nitropyridine-N-oxide;3-nitropyridine N-oxide;SCHEMBL3543601;DTXSID60178774;AKOS006273991

Chemical Property of 3-Nitropyridine 1-oxide

Chemical Property:

• Vapor Pressure: 3.7E-06mmHg at 25°C
• Boiling Point: 397.2°Cat760mmHg
• Flash Point: 194°C
• PSA: 71.28000
• Density: 1.43g/cm³
• LogP: 1.54650
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 140.02219199
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C[N+](=C1)[O-])[N+](=O)[O-]

Technology Process of 3-Nitropyridine 1-oxide

There total 3 articles about 3-Nitropyridine 1-oxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 70.0%

2-methyl-3-nitropyridine 1-oxide (5236-76-0) → 3-nitropyridine N-oxide (2403-01-2)

Guidance literature:

With selenium(IV) oxide; In 1,4-dioxane; for 7h; Heating;

DOI:10.1016/S0040-4039(00)93168-X

Reference yield: 18.0%

3-nitropyridine (2530-26-9) → 3-nitropyridine N-oxide (2403-01-2)

Guidance literature:

With oxone; sodium hydrogencarbonate; In methanol; water; at 47 ℃; for 20h; Inert atmosphere;

DOI:10.1021/jo402693s

Reference yield:

→ 3-nitropyridine N-oxide (2403-01-2)

Guidance literature:

3-Amino-pyridin-1-oxid, Wasserstoffperoxid (90percentig.), Trifluor-acetanhydrid, Chloroform;

DOI:10.1021/jo01080a008

upstream raw materials:

3-nitropyridine

2-methyl-3-nitropyridine 1-oxide

Downstream raw materials:

2-chloro-5-nitropyridine

2-Chloro-3-nitropyridine

C₁₃H₁₂N₂O₃

C₁₃H₁₂N₂O₃

Refernces

• 1、 Vamos, Mitchell,Cosford, Nicholas D. P.. "2-Aminopyridines via reaction of pyridine N-oxides and activated isocyanides". . p. 2274 - 2280. Retrieved 2014/04/03.